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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL109673
CHEMBL109673
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H24FNO2S

Additional synonyms for CHEMBL109673 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1)C(=O)C2CCN(CCC3CCc4sccc4C3=O)CC2
Standard InChI InChI=1S/C22H24FNO2S/c23-18-4-1-15(2-5-18)21(25)17-8-12-24(1 ...
Download InChI
Standard InChI Key AJNQCCIFRZGSQR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL109673

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
385.5 385.1512 4.62 5 37.38 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.25 3.07 2.17 2 27 0.71

Structural Alerts

There are 1 structural alerts for CHEMBL109673. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AJNQCCIFRZGSQR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL109673



BindingDB 50409522
Nikkaji J976.187J
PubChem 10249506
PubChem: Thomson Pharma 15252734

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/AJNQCCIFRZGSQR-UHFFFAOYSA-N spacer
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